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Protein–protein docking by fast generalized Fourier transforms on 5D rotational manifolds

Energy evaluation using fast Fourier transforms (FFTs) enables sampling billions of putative complex structures and hence revolutionized rigid protein–protein docking. However, in current methods, efficient acceleration is achieved only in either the translational or the rotational subspace. Develop...

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Veröffentlicht in:Proc Natl Acad Sci U S A
Hauptverfasser: Padhorny, Dzmitry, Kazennov, Andrey, Zerbe, Brandon S., Porter, Kathryn A., Xia, Bing, Mottarella, Scott E., Kholodov, Yaroslav, Ritchie, David W., Vajda, Sandor, Kozakov, Dima
Format: Artigo
Sprache:Inglês
Veröffentlicht: National Academy of Sciences 2016
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Online Zugang:https://ncbi.nlm.nih.gov/pmc/articles/PMC4968711/
https://ncbi.nlm.nih.gov/pubmed/27412858
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1073/pnas.1603929113
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